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PUBCHEM-ZINC01099854

 MMsINC code: MMs02769974
Type: Neutral
Formula: C19H20N2O4
SMILES:   O1C(NC(=O)c2ccccc2)C(OCC1C)NC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O4/c1-13-12-24-18(20-16(22)14-8-4-2-5-9-14)19(25-13)21-17(23)15-10-6-3-7-11-15/h2-11,13,18-19H,12H2,1H3,(H,20,22)(H,21,23)/t13-,18+,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -3.99427  SlogP: 1.9339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738056  Sterimol/B1: 2.21508  Sterimol/B2: 3.47042  Sterimol/B3: 4.11711
  Sterimol/B4: 7.80322  Sterimol/L: 18.6355 
 
 Surface and Volume Properties
  Accessible surface: 602.189  Positive charged surface: 347.348  Negative charged surface: 254.841  Volume: 325
  Hydrophobic surface: 489.054  Hydrophilic surface: 113.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.